(3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide

C8H10FN3O3S — CID 134553074

IUPAC(3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide
SMILESNS(=O)(=O)[C@@H]1COC[C@H]1c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O3S/c9-5-1-11-8(12-2-5)6-3-15-4-7(6)16(10,13)14/h1-2,6-7H,3-4H2,(H2,10,13,14)/t6-,7-/m1/s1
InChIKeyCJNYLQQSFOKYIU-RNFRBKRXSA-N
MW247.25 g/mol
LogP-0.61
Rot. Bonds2

About (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide

(3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide (PubChem CID 134553074) has the molecular formula C8H10FN3O3S and a molecular weight of 247.25 g/mol. Its IUPAC name is (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide.

Molecular Properties

Compound Name(3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide
PubChem CID134553074
Molecular FormulaC8H10FN3O3S
Molecular Weight247.25 g/mol
Exact Mass247.04
IUPAC Name(3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide
SMILESNS(=O)(=O)[C@@H]1COC[C@H]1c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O3S/c9-5-1-11-8(12-2-5)6-3-15-4-7(6)16(10,13)14/h1-2,6-7H,3-4H2,(H2,10,13,14)/t6-,7-/m1/s1
InChIKeyCJNYLQQSFOKYIU-RNFRBKRXSA-N
XLogP-0.61
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide?
The IUPAC name of (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide (CID 134553074) is (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide.
What is the SMILES notation for (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide?
The canonical SMILES for (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide is NS(=O)(=O)[C@@H]1COC[C@H]1c1ncc(F)cn1.
What is the InChIKey of (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide?
The InChIKey is CJNYLQQSFOKYIU-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H10FN3O3S/c9-5-1-11-8(12-2-5)6-3-15-4-7(6)16(10,13)14/h1-2,6-7H,3-4H2,(H2,10,13,14)/t6-,7-/m1/s1.
What are the key properties of (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide?
(3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide has a molecular weight of 247.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(5-fluoropyrimidin-2-yl)oxolane-3-sulfonamide is sourced from PubChem (CID 134553074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).